N-cyclopropyl-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-oxidanidyl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-cyclopropyl-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-oxidanidyl-pyridin-1-ium-2-carboxamide Openeye Name: N-cyclopropyl-5-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-1-oxido-pyridin-1-ium-2-carboxamide CAS Name: N-cyclopropyl-5-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]-1-oxido-2-pyridin-1-iumcarboxamide IUPAC Name: N-cyclopropyl-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-oxidopyridin-1-ium-2-carboxamide Traditional Name: N-cyclopropyl-5-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-1-oxido-pyridin-1-ium-2-carboxamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=C[N+](=C(C=C4)C(=O)NC5CC5)[O-])S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=C[N+](=C(C=C4)C(=O)NC5CC5)[O-])S(=O)(=O)C

InChI

InChI=1S/C28H27N3O4S/c1-28(2,36(3,34)35)22-15-20-8-5-13-29-26(20)24(16-22)19-7-4-6-18(14-19)21-9-12-25(31(33)17-21)27(32)30-23-10-11-23/h4-9,12-17,23H,10-11H2,1-3H3,(H,30,32)